2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid

C16H27N3O4 — CID 119358258

IUPAC2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H27N3O4/c1-11(15(21)22)18(2)14(20)12-6-5-9-19(10-12)16(23)17-13-7-3-4-8-13/h11-13H,3-10H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyDSCTWVAZADCFIM-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.28
Rot. Bonds4

About 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid

2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119358258) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119358258
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C16H27N3O4/c1-11(15(21)22)18(2)14(20)12-6-5-9-19(10-12)16(23)17-13-7-3-4-8-13/h11-13H,3-10H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyDSCTWVAZADCFIM-UHFFFAOYSA-N
XLogP1.28
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
3-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119362266
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119593119
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353705
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
methyl 3-[methyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86860285

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid (CID 119358258) is 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is DSCTWVAZADCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-11(15(21)22)18(2)14(20)12-6-5-9-19(10-12)16(23)17-13-7-3-4-8-13/h11-13H,3-10H2,1-2H3,(H,17,23)(H,21,22).
What are the key properties of 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid?
2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).